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Hexadecanedioic acid, 2-propyl-, dimethyl ester
SpectraBase Compound ID 7PjtQJAn740
InChI InChI=1S/C21H40O4/c1-4-16-19(21(23)25-3)17-14-12-10-8-6-5-7-9-11-13-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey UWKUPJNBAPCLNK-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXff8hNeGo5
Name Hexadecanedioic acid, 2-propyl-, dimethyl ester
Alternate Name(s) Dimethyl 2-propylhexadecanedioate 2-Propylhexadecanedioic acid dimethyl ester 2-Propylthapsic acid dimethyl ester
CAS Registry Number 41240-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-4-16-19(21(23)25-3)17-14-12-10-8-6-5-7-9-11-13-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey UWKUPJNBAPCLNK-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(C(C(OC)=O)CCC)CCCCCCCCCCCCC(OC)=O
SPLASH splash10-014j-2900000000-db7397c2463eaa6f8119
Source of Spectrum AC-72-4167-2
Wiley ID 1345984